Compounds > ac 55649
Page last updated: 2024-12-09

ac 55649

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth

Description

4'-octyl-4-biphenylcarboxylic acid: an RAR beta2 agonist; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID1714884
CHEMBL ID425027
CHEBI ID95048
SCHEMBL ID3088908
MeSH IDM0494790

Synonyms (48)

Synonym
HMS3269C17
BRD-K93176058-001-01-0
ac-55649, >=98% (hplc), solid
4'-octyl-biphenyl-4-carboxylic acid
NCGC00159567-01
NCGC00159567-03
NCGC00159567-02
NCGC00159567-04
AKOS001483090
EC-000.2381
CHEMBL425027 ,
ac-55649
FT-0656977
A832411
4-(4-octylphenyl)benzoic acid
HMS3263H20
59662-49-6
4'-octylbiphenyl-4-carboxylic acid
AC 55649 ,
bdbm50413261
LP01239
ac55649 ,
gtpl4055
CCG-222543
AB01332662-02
SCHEMBL3088908
4'-n-octylbiphenyl-4-carboxylic acid
4'-octyl-4-biphenylcarboxylic acid
4'-octyl[1,1'-biphenyl]-4-carboxylic acid
HXBKPYIEQLLNBK-UHFFFAOYSA-N
4-octylbiphenyl-4'-carboxylicacid
tox21_501239
NCGC00261924-01
4'-octyl-[1,1'-biphenyl]-4-carboxylicacid
4'-octyl-[1,1'-biphenyl]-4-carboxylic acid
4-n-octylbiphenyl-4'-carboxylic acid
mfcd00157040
DTXSID30364925
CHEBI:95048
CS-0029094
HY-108526
HMS3677M12
Q27074137
HMS3413M12
SDCCGSBI-0633810.P001
NCGC00159567-05
MS-24521
4-n-octylbiphenyl-4-carboxylicacid

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
"Many lead compounds fail to reach clinical trials despite being potent because of low bioavailability attributed to their insufficient solubility making solubility a primary and crucial factor in early phase drug discovery."( Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.
Baidya, ATK; Das, B; Kumar, R; Mathew, AT; Yadav, AK, 2022)		0.72
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (2)

ClassDescription
biphenylsBenzenoid aromatic compounds containing two phenyl or substituted-phenyl groups which are joined together by a single bond.
carboxybiphenylAny member of the class of biphenyls that has one or more carboxy groups attached to the biphenyl skeleton.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (12)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency16.77610.140911.194039.8107AID2451
thioredoxin reductaseRattus norvegicus (Norway rat)Potency31.62280.100020.879379.4328AID588453; AID588456
USP1 protein, partialHomo sapiens (human)Potency50.11870.031637.5844354.8130AID504865
Microtubule-associated protein tauHomo sapiens (human)Potency7.07950.180013.557439.8107AID1460
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency23.75580.011212.4002100.0000AID1030
regulator of G-protein signaling 4Homo sapiens (human)Potency21.19230.531815.435837.6858AID504845
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency25.11890.035520.977089.1251AID504332
serine/threonine-protein kinase mTOR isoform 1Homo sapiens (human)Potency23.28090.00378.618923.2809AID2668
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency33.80780.425612.059128.1838AID504536
histone acetyltransferase KAT2A isoform 1Homo sapiens (human)Potency17.49820.251215.843239.8107AID504327
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Retinoic acid receptor alphaHomo sapiens (human)EC50 (µMol)2.51190.00020.17902.5119AID394810
Retinoic acid receptor betaHomo sapiens (human)EC50 (µMol)3.82940.00030.23116.9000AID1866082; AID257179; AID257180; AID394804; AID394806
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (66)

Processvia Protein(s)Taxonomy
ureteric bud developmentRetinoic acid receptor alphaHomo sapiens (human)
neural tube closureRetinoic acid receptor alphaHomo sapiens (human)
liver developmentRetinoic acid receptor alphaHomo sapiens (human)
glandular epithelial cell developmentRetinoic acid receptor alphaHomo sapiens (human)
growth plate cartilage developmentRetinoic acid receptor alphaHomo sapiens (human)
protein phosphorylationRetinoic acid receptor alphaHomo sapiens (human)
germ cell developmentRetinoic acid receptor alphaHomo sapiens (human)
female pregnancyRetinoic acid receptor alphaHomo sapiens (human)
positive regulation of cell population proliferationRetinoic acid receptor alphaHomo sapiens (human)
negative regulation of cell population proliferationRetinoic acid receptor alphaHomo sapiens (human)
negative regulation of translationRetinoic acid receptor alphaHomo sapiens (human)
hippocampus developmentRetinoic acid receptor alphaHomo sapiens (human)
prostate gland developmentRetinoic acid receptor alphaHomo sapiens (human)
negative regulation of granulocyte differentiationRetinoic acid receptor alphaHomo sapiens (human)
embryonic camera-type eye developmentRetinoic acid receptor alphaHomo sapiens (human)
regulation of myelinationRetinoic acid receptor alphaHomo sapiens (human)
response to estradiolRetinoic acid receptor alphaHomo sapiens (human)
response to retinoic acidRetinoic acid receptor alphaHomo sapiens (human)
negative regulation of type II interferon productionRetinoic acid receptor alphaHomo sapiens (human)
negative regulation of tumor necrosis factor productionRetinoic acid receptor alphaHomo sapiens (human)
positive regulation of interleukin-13 productionRetinoic acid receptor alphaHomo sapiens (human)
positive regulation of interleukin-4 productionRetinoic acid receptor alphaHomo sapiens (human)
positive regulation of interleukin-5 productionRetinoic acid receptor alphaHomo sapiens (human)
response to vitamin ARetinoic acid receptor alphaHomo sapiens (human)
response to cytokineRetinoic acid receptor alphaHomo sapiens (human)
multicellular organism growthRetinoic acid receptor alphaHomo sapiens (human)
mRNA transcription by RNA polymerase IIRetinoic acid receptor alphaHomo sapiens (human)
regulation of apoptotic processRetinoic acid receptor alphaHomo sapiens (human)
apoptotic cell clearanceRetinoic acid receptor alphaHomo sapiens (human)
response to ethanolRetinoic acid receptor alphaHomo sapiens (human)
positive regulation of T-helper 2 cell differentiationRetinoic acid receptor alphaHomo sapiens (human)
positive regulation of neuron differentiationRetinoic acid receptor alphaHomo sapiens (human)
positive regulation of cell cycleRetinoic acid receptor alphaHomo sapiens (human)
negative regulation of DNA-templated transcriptionRetinoic acid receptor alphaHomo sapiens (human)
positive regulation of DNA-templated transcriptionRetinoic acid receptor alphaHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIRetinoic acid receptor alphaHomo sapiens (human)
regulation of synaptic plasticityRetinoic acid receptor alphaHomo sapiens (human)
retinoic acid receptor signaling pathwayRetinoic acid receptor alphaHomo sapiens (human)
positive regulation of bindingRetinoic acid receptor alphaHomo sapiens (human)
ventricular cardiac muscle cell differentiationRetinoic acid receptor alphaHomo sapiens (human)
Sertoli cell fate commitmentRetinoic acid receptor alphaHomo sapiens (human)
limb developmentRetinoic acid receptor alphaHomo sapiens (human)
face developmentRetinoic acid receptor alphaHomo sapiens (human)
trachea cartilage developmentRetinoic acid receptor alphaHomo sapiens (human)
chondroblast differentiationRetinoic acid receptor alphaHomo sapiens (human)
negative regulation of cartilage developmentRetinoic acid receptor alphaHomo sapiens (human)
cellular response to lipopolysaccharideRetinoic acid receptor alphaHomo sapiens (human)
cellular response to retinoic acidRetinoic acid receptor alphaHomo sapiens (human)
cellular response to estrogen stimulusRetinoic acid receptor alphaHomo sapiens (human)
regulation of hematopoietic progenitor cell differentiationRetinoic acid receptor alphaHomo sapiens (human)
negative regulation of miRNA transcriptionRetinoic acid receptor alphaHomo sapiens (human)
cell differentiationRetinoic acid receptor alphaHomo sapiens (human)
hormone-mediated signaling pathwayRetinoic acid receptor alphaHomo sapiens (human)
negative regulation of transcription by RNA polymerase IIRetinoic acid receptor alphaHomo sapiens (human)
ureteric bud developmentRetinoic acid receptor betaHomo sapiens (human)
glandular epithelial cell developmentRetinoic acid receptor betaHomo sapiens (human)
growth plate cartilage developmentRetinoic acid receptor betaHomo sapiens (human)
apoptotic processRetinoic acid receptor betaHomo sapiens (human)
signal transductionRetinoic acid receptor betaHomo sapiens (human)
striatum developmentRetinoic acid receptor betaHomo sapiens (human)
neurogenesisRetinoic acid receptor betaHomo sapiens (human)
regulation of myelinationRetinoic acid receptor betaHomo sapiens (human)
negative regulation of chondrocyte differentiationRetinoic acid receptor betaHomo sapiens (human)
embryonic hindlimb morphogenesisRetinoic acid receptor betaHomo sapiens (human)
multicellular organism growthRetinoic acid receptor betaHomo sapiens (human)
positive regulation of apoptotic processRetinoic acid receptor betaHomo sapiens (human)
embryonic eye morphogenesisRetinoic acid receptor betaHomo sapiens (human)
embryonic digestive tract developmentRetinoic acid receptor betaHomo sapiens (human)
ventricular cardiac muscle cell differentiationRetinoic acid receptor betaHomo sapiens (human)
neural precursor cell proliferationRetinoic acid receptor betaHomo sapiens (human)
stem cell proliferationRetinoic acid receptor betaHomo sapiens (human)
negative regulation of stem cell proliferationRetinoic acid receptor betaHomo sapiens (human)
retinoic acid receptor signaling pathwayRetinoic acid receptor betaHomo sapiens (human)
hormone-mediated signaling pathwayRetinoic acid receptor betaHomo sapiens (human)
negative regulation of transcription by RNA polymerase IIRetinoic acid receptor betaHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIRetinoic acid receptor betaHomo sapiens (human)
cell differentiationRetinoic acid receptor betaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (27)

Processvia Protein(s)Taxonomy
mRNA regulatory element binding translation repressor activityRetinoic acid receptor alphaHomo sapiens (human)
RNA polymerase II transcription regulatory region sequence-specific DNA bindingRetinoic acid receptor alphaHomo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingRetinoic acid receptor alphaHomo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificRetinoic acid receptor alphaHomo sapiens (human)
DNA-binding transcription repressor activityRetinoic acid receptor alphaHomo sapiens (human)
transcription coactivator bindingRetinoic acid receptor alphaHomo sapiens (human)
retinoic acid bindingRetinoic acid receptor alphaHomo sapiens (human)
chromatin bindingRetinoic acid receptor alphaHomo sapiens (human)
DNA-binding transcription factor activityRetinoic acid receptor alphaHomo sapiens (human)
nuclear receptor activityRetinoic acid receptor alphaHomo sapiens (human)
signaling receptor bindingRetinoic acid receptor alphaHomo sapiens (human)
protein bindingRetinoic acid receptor alphaHomo sapiens (human)
zinc ion bindingRetinoic acid receptor alphaHomo sapiens (human)
enzyme bindingRetinoic acid receptor alphaHomo sapiens (human)
protein domain specific bindingRetinoic acid receptor alphaHomo sapiens (human)
chromatin DNA bindingRetinoic acid receptor alphaHomo sapiens (human)
histone deacetylase bindingRetinoic acid receptor alphaHomo sapiens (human)
protein kinase B bindingRetinoic acid receptor alphaHomo sapiens (human)
retinoic acid-responsive element bindingRetinoic acid receptor alphaHomo sapiens (human)
mRNA 5'-UTR bindingRetinoic acid receptor alphaHomo sapiens (human)
protein kinase A bindingRetinoic acid receptor alphaHomo sapiens (human)
alpha-actinin bindingRetinoic acid receptor alphaHomo sapiens (human)
heterocyclic compound bindingRetinoic acid receptor alphaHomo sapiens (human)
sequence-specific double-stranded DNA bindingRetinoic acid receptor alphaHomo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificRetinoic acid receptor betaHomo sapiens (human)
DNA bindingRetinoic acid receptor betaHomo sapiens (human)
zinc ion bindingRetinoic acid receptor betaHomo sapiens (human)
protein-containing complex bindingRetinoic acid receptor betaHomo sapiens (human)
nuclear retinoid X receptor bindingRetinoic acid receptor betaHomo sapiens (human)
heterocyclic compound bindingRetinoic acid receptor betaHomo sapiens (human)
sequence-specific double-stranded DNA bindingRetinoic acid receptor betaHomo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingRetinoic acid receptor betaHomo sapiens (human)
nuclear receptor activityRetinoic acid receptor betaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (13)

Processvia Protein(s)Taxonomy
nucleusRetinoic acid receptor alphaHomo sapiens (human)
nucleoplasmRetinoic acid receptor alphaHomo sapiens (human)
transcription regulator complexRetinoic acid receptor alphaHomo sapiens (human)
nucleolusRetinoic acid receptor alphaHomo sapiens (human)
cytoplasmRetinoic acid receptor alphaHomo sapiens (human)
cytosolRetinoic acid receptor alphaHomo sapiens (human)
plasma membraneRetinoic acid receptor alphaHomo sapiens (human)
actin cytoskeletonRetinoic acid receptor alphaHomo sapiens (human)
dendriteRetinoic acid receptor alphaHomo sapiens (human)
perinuclear region of cytoplasmRetinoic acid receptor alphaHomo sapiens (human)
RNA polymerase II transcription regulator complexRetinoic acid receptor alphaHomo sapiens (human)
chromatinRetinoic acid receptor alphaHomo sapiens (human)
protein-containing complexRetinoic acid receptor alphaHomo sapiens (human)
nucleusRetinoic acid receptor alphaHomo sapiens (human)
nucleusRetinoic acid receptor betaHomo sapiens (human)
nucleoplasmRetinoic acid receptor betaHomo sapiens (human)
cytoplasmRetinoic acid receptor betaHomo sapiens (human)
chromatinRetinoic acid receptor betaHomo sapiens (human)
nucleusRetinoic acid receptor betaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (50)

Assay IDTitleYearJournalArticle
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1346786Human Retinoic acid receptor-beta (1B. Retinoic acid receptors)2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID1346786Human Retinoic acid receptor-beta (1B. Retinoic acid receptors)2005Journal of medicinal chemistry, Dec-01, Volume: 48, Issue:24
Discovery of a potent, orally available, and isoform-selective retinoic acid beta2 receptor agonist.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347410qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library2019Cellular signalling, 08, Volume: 60A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504836Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation2002The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16
Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347405qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347049Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen2019Science translational medicine, 07-10, Volume: 11, Issue:500
Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID588349qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay
AID588378qHTS for Inhibitors of ATXN expression: Validation
AID1347045Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line2019Science translational medicine, 07-10, Volume: 11, Issue:500
Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347151Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347050Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay2019Science translational medicine, 07-10, Volume: 11, Issue:500
Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID257182Efficacy against RARbeta12005Journal of medicinal chemistry, Dec-01, Volume: 48, Issue:24
Discovery of a potent, orally available, and isoform-selective retinoic acid beta2 receptor agonist.
AID394814Metabolic stability in human liver microsomes assessed as intrinsic clearance2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID394820Inhibition of human MCF7 cell proliferation assessed as inhibition of DNA synthesis by [3H]thymidine incorporation assay2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID1866020Thermodynamic aqueous solubility of the compound2022Bioorganic & medicinal chemistry, 02-15, Volume: 56Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.
AID394823Selectivity for RARbeta2 expressed in mouse NIH3T3 cells over RARgamma expressed in mouse NIH3T3 cells2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID257181Efficacy against RARbeta22005Journal of medicinal chemistry, Dec-01, Volume: 48, Issue:24
Discovery of a potent, orally available, and isoform-selective retinoic acid beta2 receptor agonist.
AID394822Selectivity for RARbeta2 expressed in mouse NIH3T3 cells over RARalpha expressed in mouse NIH3T3 cells2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID1866082Agonist activity at human RAR-beta2 receptor2022Bioorganic & medicinal chemistry, 02-15, Volume: 56Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.
AID394808Activity at RARalpha expressed in mouse NIH3T3 cells by R-SAT assay relative to Am-5802009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID257179Transcriptional activity against RARbeta22005Journal of medicinal chemistry, Dec-01, Volume: 48, Issue:24
Discovery of a potent, orally available, and isoform-selective retinoic acid beta2 receptor agonist.
AID394815Metabolic stability in rat liver microsomes assessed as intrinsic clearance2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID394802Induction of neurite outgrowth in human NTERA2 cells2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID394819Inhibition of human MCF7 cell proliferation2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID394803Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay relative to Am-5802009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID257185Solubility at pH 7.42005Journal of medicinal chemistry, Dec-01, Volume: 48, Issue:24
Discovery of a potent, orally available, and isoform-selective retinoic acid beta2 receptor agonist.
AID394804Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID394824Selectivity for RARbeta2 expressed in mouse NIH3T3 cells over RARbeta1 expressed in mouse NIH3T3 cells2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID394812Activity at RARgamma expressed in mouse NIH3T3 cells at <10 uM by R-SAT assay relative to Am-5802009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID478134Cytotoxicity against human COLO205 cells after 48 hrs by MTT assay2010Journal of medicinal chemistry, May-13, Volume: 53, Issue:9
Liposomal formulation of retinoids designed for enzyme triggered release.
AID394806Activity at RARbeta1 expressed in mouse NIH3T3 cells by R-SAT assay2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID257187Inhibition of DNA synthesis in MCF7 cells by [3H]thymidine incorporation2005Journal of medicinal chemistry, Dec-01, Volume: 48, Issue:24
Discovery of a potent, orally available, and isoform-selective retinoic acid beta2 receptor agonist.
AID478133Cytotoxicity against human HT-29 cells after 48 hrs by MTT assay2010Journal of medicinal chemistry, May-13, Volume: 53, Issue:9
Liposomal formulation of retinoids designed for enzyme triggered release.
AID394800Aqueous solubility in phosphate buffer at pH 7.42009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID394801Lipophilicity, Log P of the compound2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID394810Activity at RARalpha expressed in mouse NIH3T3 cells by R-SAT assay2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID257180Transcriptional activity against RARbeta12005Journal of medicinal chemistry, Dec-01, Volume: 48, Issue:24
Discovery of a potent, orally available, and isoform-selective retinoic acid beta2 receptor agonist.
AID394805Activity at RARbeta1 expressed in mouse NIH3T3 cells by R-SAT assay relative to Am-5802009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID478132Cytotoxicity against human MT3 cells after 48 hrs by MTT assay2010Journal of medicinal chemistry, May-13, Volume: 53, Issue:9
Liposomal formulation of retinoids designed for enzyme triggered release.
AID394821Activation of RARbeta2 expressed in HEK293 cells after 48 hrs by RARE-luciferase reporter gene assay2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID394816Distribution coefficient, log D of the compound2009Journal of medicinal chemistry, Mar-26, Volume: 52, Issue:6
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).2014Journal of biomolecular screening, Jul, Volume: 19, Issue:6
A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (18)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's3 (16.67)29.6817
2010's8 (44.44)24.3611
2020's7 (38.89)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (5.26%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other18 (94.74%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
phenytoin
[no description available]		3.5110imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
am 580
Am 580: a selctive retinoic acid receptor (alpha) agonist; structure given in first source. 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid : An amidobenzoic acid obtained by formal condensation of the carboxy group of (5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid with the anilino group of 4-aminobenzoic acid. A selective RARalpha agonist.		2.7530amidobenzoic acid;
tetralins		antineoplastic agent;
retinoic acid receptor alpha/beta agonist
beta-naphthoflavone
beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308). beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone.		3.5110extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound		aryl hydrocarbon receptor agonist
beta-lapachone
beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase. beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities.		3.5110benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
mebendazole
Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.		3.5110aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
stearic acid
octadecanoic acid : A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics.		2.0510long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite
thalidomide
Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.. thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.. 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.		3.5110phthalimides;
piperidones
thiazoles
[no description available]		2.46201,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
triazoles
Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.		2.08101,2,3-triazole
3-heptyl-4-hydroxy-7-methoxy-2-methylquinoline
3-heptyl-4-hydroxy-7-methoxy-2-methylquinoline: structure given in first source		3.5110
etravirine
[no description available]		3.5110aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor
linezolid
[no description available]		3.5110acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
tretinoin
Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.		2.9740retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule
antofine
antofine: structure in first source. (-)-antofine : An organic heteropentacyclic compound that is (13aR)-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline substituted at positions 2, 3 and 6 by methoxy groups. It is an alkaloid produced by relatives of the milkweed family and exhibits antiviral, anti-inflammatory, antiadipogenic and antitumorigenic activities.		3.5110alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite
diosmin
[no description available]		3.5110dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside		anti-inflammatory agent;
antioxidant
oridonin
[no description available]		3.5110cyclic hemiketal;
enone;
ent-kaurane diterpenoid;
organic heteropentacyclic compound;
secondary alcohol		angiogenesis inhibitor;
anti-asthmatic agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
rilpivirine
[no description available]		3.5110aminopyrimidine;
nitrile		EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor
r 115866
R 115866: structure in first source. talarozole : A racemate comprising equimolar amounts of (R)- and (S)-talarozole. It is used for the treatment of keratinization disorders, psoriasis and acne.. N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine : A member of the class of benzothiazoles that is 2-amino-1,3-benzothiazole in which one of the amino hydrogens is replaced by a 4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl group.		2.0810aromatic amine;
benzothiazoles;
secondary amino compound;
triazoles
a 286982
A 286982: inhibits the interaction between leukocyte function-associated antigen-1 and intracellular adhesion molecule-1; structure in first source		3.5110
SIS3 free base
SIS3 free base : An enamide resulting from the formal condensation of the amino group of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline with the carboxy group of (2E)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acrylic acid.		3.5110aromatic ether;
enamide;
isoquinolines;
monocarboxylic acid amide;
pyrrolopyridine;
tertiary carboxamide		Smad3 inhibitor
bms-585248
[no description available]		3.5110
tedizolid
DA 7157: an anti-infective agent; structure in first source. tedizolid : A member of the class of pyridines that is pyridine which is substituted by a 2-methyl-2H-tetrazol-5-yl group at position 2 and by a 2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl group at position 5. It is used as its phosphate pro-drug used for the treatment of acute bacterial skin and skin structure infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis.		3.5110carbamate ester;
organofluorine compound;
oxazolidinone;
primary alcohol;
pyridines;
tetrazoles		antimicrobial agent;
drug metabolite;
protein synthesis inhibitor
bms-626529
[no description available]		3.5110
bms-663068
fostemsavir: an HIV-1 attachment inhibitor; structure in first source		3.5110
tedizolid phosphate
tedizolid phosphate: a prodrug of DA-7157; structure in first source. tedizolid phosphate : A phosphate monoester resulting from the formal condensation of equimolar amounts of phosphoric acid with the hydroxy group of tedizolid . It is a prodrug of tedizolid, used for the treatment of acute bacterial skin infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis.		3.5110carbamate ester;
organofluorine compound;
oxazolidinone;
phosphate monoester;
pyridines;
tetrazoles		antimicrobial agent;
prodrug;
protein synthesis inhibitor
ac 261066
[no description available]		2.4420
psi 697
2-(4-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo(H)quinoline-4-carboxylic acid: inhibitor of P selectin that decreases vein wall injury in a rat stenosis model of venous thrombosis		3.5110
amg 517
[no description available]		3.5110
azd1283
[no description available]		3.5110
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholine
[no description available]		3.5110indoles
7-chloro-3-methyl-2-(4-(4-(trifluoromethoxy)benzyl)phenyl)quinolin-4(1h)-one
7-chloro-3-methyl-2-(4-(4-(trifluoromethoxy)benzyl)phenyl)quinolin-4(1H)-one: an antimalarial; structure in first source		3.5110
gs-9973
[no description available]		3.5110
ddd107498
DDD107498: has antimalarial activity; structure in first source		3.5110
ConditionIndicatedRelationship StrengthStudiesTrials
Plasmodium falciparum Malaria
[description not available]		02.110
Malaria, Falciparum
Malaria caused by PLASMODIUM FALCIPARUM. This is the severest form of malaria and is associated with the highest levels of parasites in the blood. This disease is characterized by irregularly recurring febrile paroxysms that in extreme cases occur with acute cerebral, renal, or gastrointestinal manifestations.		02.110
Contact Dermatitis
[description not available]		02.2110
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		02.6320
Itching
[description not available]		02.2110
Dermatitis, Contact
A type of acute or chronic skin reaction in which sensitivity is manifested by reactivity to materials or substances coming in contact with the skin. It may involve allergic or non-allergic mechanisms.		02.2110
Pruritus
An intense itching sensation that produces the urge to rub or scratch the skin to obtain relief.		02.2110
Congenital Zika Syndrome
[description not available]		02.2510
Zika Virus Infection
A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.		02.2510
Fatty Liver, Nonalcoholic
[description not available]		02.1310
Diabetes Mellitus, Adult-Onset
[description not available]		02.1310
Hyperglycemia, Postprandial
Abnormally high BLOOD GLUCOSE level after a meal.		02.1310
Insulin Sensitivity
[description not available]		02.1310
Diabetes Mellitus, Type 2
A subclass of DIABETES MELLITUS that is not INSULIN-responsive or dependent (NIDDM). It is characterized initially by INSULIN RESISTANCE and HYPERINSULINEMIA; and eventually by GLUCOSE INTOLERANCE; HYPERGLYCEMIA; and overt diabetes. Type II diabetes mellitus is no longer considered a disease exclusively found in adults. Patients seldom develop KETOSIS but often exhibit OBESITY.		02.1310
Hyperglycemia
Abnormally high BLOOD GLUCOSE level.		02.1310
Insulin Resistance
Diminished effectiveness of INSULIN in lowering blood sugar levels: requiring the use of 200 units or more of insulin per day to prevent HYPERGLYCEMIA or KETOSIS.		02.1310
Obesity
A status with BODY WEIGHT that is grossly above the recommended standards, usually due to accumulation of excess FATS in the body. The standards may vary with age, sex, genetic or cultural background. In the BODY MASS INDEX, a BMI greater than 30.0 kg/m2 is considered obese, and a BMI greater than 40.0 kg/m2 is considered morbidly obese (MORBID OBESITY).		02.1310
Non-alcoholic Fatty Liver Disease
Fatty liver finding without excessive ALCOHOL CONSUMPTION.		02.1310